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On 31 Jul 2006, at 13:20, Andrew Gulick wrote:
I have a new structure in which I can see a residue N-terminal to the first methionine that is derived from the "left-over" gly-his that results after His-tag cleavage. What is the proper way to label this residue (as far as sequence number) in order to have COOT and REFMAC properly handle the bond between the histidine and the "n-terminal" met? (Should the residue number be 0? -1?)
0, -1, Yes.
I've tried a negative sequence label. I've also tried to insert a residue with COOT (figuring it will build and label it correctly) and it "fails to find any acceptable configuration." making me wonder if it won't look residue N-terminal to residue #1.
Coot certainly used to do that. I'd be surprised (and annoyed) if it still does in 0.1.1.
To work around, just add 1000 or so to the residue numbers, add terminal residue and then renumber residues again.
Paul. -- http://www.ysbl.york.ac.uk/~emsley Structural Biology Laboratory, University of York, York, YO10 5YW, UK
